1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine

C15H20N2O — CID 79247899

IUPAC1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESC#CCNC1(CN)CCCc2ccc(OC)cc21
InChIInChI=1S/C15H20N2O/c1-3-9-17-15(11-16)8-4-5-12-6-7-13(18-2)10-14(12)15/h1,6-7,10,17H,4-5,8-9,11,16H2,2H3
InChIKeyKYSNUPAKZPJNRL-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.41
Rot. Bonds4

About 1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine

1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 79247899) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID79247899
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESC#CCNC1(CN)CCCc2ccc(OC)cc21
InChIInChI=1S/C15H20N2O/c1-3-9-17-15(11-16)8-4-5-12-6-7-13(18-2)10-14(12)15/h1,6-7,10,17H,4-5,8-9,11,16H2,2H3
InChIKeyKYSNUPAKZPJNRL-UHFFFAOYSA-N
XLogP1.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-7-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79247744
1-(aminomethyl)-N-(2-cyclopropylethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248601
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
1-(aminomethyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79248766
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001
(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methanamine
CID 79247847
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79247587
1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79233197
6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol
CID 113374241
1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374777

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine (CID 79247899) is 1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine is C#CCNC1(CN)CCCc2ccc(OC)cc21.
What is the InChIKey of 1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is KYSNUPAKZPJNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-9-17-15(11-16)8-4-5-12-6-7-13(18-2)10-14(12)15/h1,6-7,10,17H,4-5,8-9,11,16H2,2H3.
What are the key properties of 1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine?
1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 244.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-7-methoxy-N-prop-2-ynyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 79247899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).