N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine

C19H31NO — CID 66475186

IUPACN-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1)C1C(C)(C)C1(C)C
InChIInChI=1S/C19H31NO/c1-7-11-20-16(17-18(2,3)19(17,4)5)13-14-9-8-10-15(12-14)21-6/h8-10,12,16-17,20H,7,11,13H2,1-6H3
InChIKeyPNNIMUCDGPEQMP-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.29
Rot. Bonds7

About N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine

N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine (PubChem CID 66475186) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
PubChem CID66475186
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1)C1C(C)(C)C1(C)C
InChIInChI=1S/C19H31NO/c1-7-11-20-16(17-18(2,3)19(17,4)5)13-14-9-8-10-15(12-14)21-6/h8-10,12,16-17,20H,7,11,13H2,1-6H3
InChIKeyPNNIMUCDGPEQMP-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105133765
1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693031
N-ethyl-2-(4-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66477674
N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62601372
N-[1-(1-methoxycyclobutyl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 116714829
1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
CID 83162309
3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine
CID 116758375
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105133867
N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80684973
N-[2-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 61065038
1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine
CID 66038028
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine (CID 66475186) is N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(OC)c1)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine?
The InChIKey is PNNIMUCDGPEQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-7-11-20-16(17-18(2,3)19(17,4)5)13-14-9-8-10-15(12-14)21-6/h8-10,12,16-17,20H,7,11,13H2,1-6H3.
What are the key properties of N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine?
N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine is sourced from PubChem (CID 66475186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).