N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride

C21H28ClNO — CID 171784857

IUPACN-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride
SMILESCl.c1ccc(CNCC2CCC(OCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27NO.ClH/c1-3-7-18(8-4-1)15-22-16-19-11-13-21(14-12-19)23-17-20-9-5-2-6-10-20;/h1-10,19,21-22H,11-17H2;1H
InChIKeyOZFVFQHGOJIDET-UHFFFAOYSA-N
MW345.91 g/mol
LogP4.97
Rot. Bonds7

About N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride

N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride (PubChem CID 171784857) has the molecular formula C21H28ClNO and a molecular weight of 345.91 g/mol. Its IUPAC name is N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride
PubChem CID171784857
Molecular FormulaC21H28ClNO
Molecular Weight345.91 g/mol
Exact Mass345.19
IUPAC NameN-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride
SMILESCl.c1ccc(CNCC2CCC(OCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27NO.ClH/c1-3-7-18(8-4-1)15-22-16-19-11-13-21(14-12-19)23-17-20-9-5-2-6-10-20;/h1-10,19,21-22H,11-17H2;1H
InChIKeyOZFVFQHGOJIDET-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.91
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
1-(4-phenylmethoxycyclohexyl)butan-2-one
CID 91074255
(4-propylcyclohexyl)oxymethylbenzene
CID 147199890
benzaldehyde;N-benzyl-1-cyclopropylmethanamine
CID 158539783
azane;cyclopentyloxymethylbenzene
CID 69411306
4-(4-phenylmethoxycyclohexyl)butan-2-one
CID 67412875
[4-[(benzylamino)methyl]cyclohexyl] butanoate
CID 91414149
N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide
CID 138554091
3-phenylmethoxycyclopentan-1-amine
CID 79421215
4-phenylmethoxyoxane
CID 66554133
1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 167733766

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride?
The IUPAC name of N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride (CID 171784857) is N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride.
What is the SMILES notation for N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride?
The canonical SMILES for N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride is Cl.c1ccc(CNCC2CCC(OCc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride?
The InChIKey is OZFVFQHGOJIDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO.ClH/c1-3-7-18(8-4-1)15-22-16-19-11-13-21(14-12-19)23-17-20-9-5-2-6-10-20;/h1-10,19,21-22H,11-17H2;1H.
What are the key properties of N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride?
N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride has a molecular weight of 345.91 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride is sourced from PubChem (CID 171784857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).