N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C18H21NO — CID 79240006

IUPACN-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NCc1ccccc1)CCC2
InChIInChI=1S/C18H21NO/c1-20-16-11-10-15-8-5-9-18(17(15)12-16)19-13-14-6-3-2-4-7-14/h2-4,6-7,10-12,18-19H,5,8-9,13H2,1H3
InChIKeyKTMHJYXSGCWFKA-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.86
Rot. Bonds4

About N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79240006) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79240006
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NCc1ccccc1)CCC2
InChIInChI=1S/C18H21NO/c1-20-16-11-10-15-8-5-9-18(17(15)12-16)19-13-14-6-3-2-4-7-14/h2-4,6-7,10-12,18-19H,5,8-9,13H2,1H3
InChIKeyKTMHJYXSGCWFKA-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79231019
N-(furan-3-ylmethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115674094
N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366842
4-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115715635
N-[(4-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248439
7-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230515
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79239077
N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113261175
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
7-methoxy-N-[(1-methylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103903212
N-(3-ethylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79232093
N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531349

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79240006) is N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(NCc1ccccc1)CCC2.
What is the InChIKey of N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is KTMHJYXSGCWFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-20-16-11-10-15-8-5-9-18(17(15)12-16)19-13-14-6-3-2-4-7-14/h2-4,6-7,10-12,18-19H,5,8-9,13H2,1H3.
What are the key properties of N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79240006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).