N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride

C16H22ClNO — CID 17292334

IUPACN-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride
SMILESCCC(C)NCc1c(OC)ccc2ccccc12.Cl
InChIInChI=1S/C16H21NO.ClH/c1-4-12(2)17-11-15-14-8-6-5-7-13(14)9-10-16(15)18-3;/h5-10,12,17H,4,11H2,1-3H3;1H
InChIKeyZTLCVWJXZRDMSI-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.16
Rot. Bonds5

About N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride

N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride (PubChem CID 17292334) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride
PubChem CID17292334
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride
SMILESCCC(C)NCc1c(OC)ccc2ccccc12.Cl
InChIInChI=1S/C16H21NO.ClH/c1-4-12(2)17-11-15-14-8-6-5-7-13(14)9-10-16(15)18-3;/h5-10,12,17H,4,11H2,1-3H3;1H
InChIKeyZTLCVWJXZRDMSI-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine
CID 63478488
2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol
CID 3160564
(2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine
CID 94074371
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate
CID 60780634
2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
CID 17053675
(2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 40726488
(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 51992135
1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride
CID 170888490
1-[2-[(2-methoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295794
(2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 51992052
(2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine
CID 95127622

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride (CID 17292334) is N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride is CCC(C)NCc1c(OC)ccc2ccccc12.Cl.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride?
The InChIKey is ZTLCVWJXZRDMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO.ClH/c1-4-12(2)17-11-15-14-8-6-5-7-13(14)9-10-16(15)18-3;/h5-10,12,17H,4,11H2,1-3H3;1H.
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride?
N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 17292334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).