N-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine

C19H25NS — CID 63501949

IUPACN-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccsc2)CCCc2ccccc21
InChIInChI=1S/C19H25NS/c1-15(2)20-14-19(12-16-9-11-21-13-16)10-5-7-17-6-3-4-8-18(17)19/h3-4,6,8-9,11,13,15,20H,5,7,10,12,14H2,1-2H3
InChIKeyBBDVKXTVTZKEMC-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.56
Rot. Bonds5

About N-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine

N-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine (PubChem CID 63501949) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine
PubChem CID63501949
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccsc2)CCCc2ccccc21
InChIInChI=1S/C19H25NS/c1-15(2)20-14-19(12-16-9-11-21-13-16)10-5-7-17-6-3-4-8-18(17)19/h3-4,6,8-9,11,13,15,20H,5,7,10,12,14H2,1-2H3
InChIKeyBBDVKXTVTZKEMC-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine
CID 62719535
N-[[1-(trimethylsilylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine
CID 106323563
3-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
CID 66033638
N-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine
CID 63502125
3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
CID 66049211
1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
CID 63504181
1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile
CID 65408435
1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
CID 63501769
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431
N-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 103984620
4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 66036331
3-bromo-2-[[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]thiophene
CID 66049420

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine (CID 63501949) is N-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine is CC(C)NCC1(Cc2ccsc2)CCCc2ccccc21.
What is the InChIKey of N-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine?
The InChIKey is BBDVKXTVTZKEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-15(2)20-14-19(12-16-9-11-21-13-16)10-5-7-17-6-3-4-8-18(17)19/h3-4,6,8-9,11,13,15,20H,5,7,10,12,14H2,1-2H3.
What are the key properties of N-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine?
N-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine has a molecular weight of 299.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-3-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine is sourced from PubChem (CID 63501949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).