N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine

C17H27NO — CID 103081446

IUPACN-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine
SMILESCOC1CCC(NCc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H27NO/c1-17(2,3)14-7-5-13(6-8-14)12-18-15-9-10-16(11-15)19-4/h5-8,15-16,18H,9-12H2,1-4H3
InChIKeyFNBZFCBBSOYFFP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.64
Rot. Bonds4

About N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine

N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine (PubChem CID 103081446) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine
PubChem CID103081446
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine
SMILESCOC1CCC(NCc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H27NO/c1-17(2,3)14-7-5-13(6-8-14)12-18-15-9-10-16(11-15)19-4/h5-8,15-16,18H,9-12H2,1-4H3
InChIKeyFNBZFCBBSOYFFP-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701416
N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine
CID 113286117
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
4-[[(4-methoxycyclohexyl)amino]methyl]phenol
CID 104530017
N-[(4-tert-butylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734413
3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113429867
3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 103081758
N-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine
CID 114119863
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081610
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62420771
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081816
methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate
CID 103083146

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine (CID 103081446) is N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine is COC1CCC(NCc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine?
The InChIKey is FNBZFCBBSOYFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)14-7-5-13(6-8-14)12-18-15-9-10-16(11-15)19-4/h5-8,15-16,18H,9-12H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine?
N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine is sourced from PubChem (CID 103081446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).