4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol

C17H21NO — CID 116941898

IUPAC4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol
SMILESNC(c1cccc2ccccc12)C1CCC(O)CC1
InChIInChI=1S/C17H21NO/c18-17(13-8-10-14(19)11-9-13)16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14,17,19H,8-11,18H2
InChIKeyUDHNJGIRRDCMIH-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.39
Rot. Bonds2

About 4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol

4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol (PubChem CID 116941898) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol
PubChem CID116941898
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol
SMILESNC(c1cccc2ccccc12)C1CCC(O)CC1
InChIInChI=1S/C17H21NO/c18-17(13-8-10-14(19)11-9-13)16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14,17,19H,8-11,18H2
InChIKeyUDHNJGIRRDCMIH-UHFFFAOYSA-N
XLogP3.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclobutyl(naphthalen-1-yl)methanamine;hydrochloride
CID 171212042
(4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine
CID 65391024
(S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride
CID 171243613
2-cyclopropyl-1-naphthalen-1-ylpropan-1-amine
CID 83153913
cyclopropyl(isoquinolin-4-yl)methanamine
CID 63939976
4-[amino(naphthalen-2-yl)methyl]cyclohexan-1-ol
CID 116941899
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
cyclopropyl-(2-iodophenyl)methanamine
CID 112684977
isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
CID 65425147
2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid
CID 84747241
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695
2-[(S)-amino(cyclopropyl)methyl]aniline
CID 130654214

Frequently Asked Questions

What is the IUPAC name of 4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol (CID 116941898) is 4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol is NC(c1cccc2ccccc12)C1CCC(O)CC1.
What is the InChIKey of 4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is UDHNJGIRRDCMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c18-17(13-8-10-14(19)11-9-13)16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14,17,19H,8-11,18H2.
What are the key properties of 4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol?
4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 116941898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).