N-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine

C16H26ClNO — CID 65125164

IUPACN-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine
SMILESCC(CCCNC(C)(C)C)OCc1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-13(7-6-10-18-16(2,3)4)19-12-14-8-5-9-15(17)11-14/h5,8-9,11,13,18H,6-7,10,12H2,1-4H3
InChIKeyKQPRXRSXVCHLMY-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.41
Rot. Bonds7

About N-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine

N-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine (PubChem CID 65125164) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is N-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine
PubChem CID65125164
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC NameN-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine
SMILESCC(CCCNC(C)(C)C)OCc1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-13(7-6-10-18-16(2,3)4)19-12-14-8-5-9-15(17)11-14/h5,8-9,11,13,18H,6-7,10,12H2,1-4H3
InChIKeyKQPRXRSXVCHLMY-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine
CID 81015548
N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine
CID 63496114
N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453840
N-tert-butyl-2-[(3-chlorophenyl)methyl]hexan-1-amine
CID 63522455
2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine
CID 65125259
N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine
CID 62485518
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
CID 64765327
N-[2-[(3-chlorophenyl)methoxy]ethyl]-3-methylbutan-1-amine
CID 65125757
N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine
CID 63278706
N-tert-butyl-4-methoxypentan-1-amine
CID 62444088
N-tert-butyl-4-(2-methylphenoxy)pentan-1-amine
CID 55076647
2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide
CID 78972710

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine?
The IUPAC name of N-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine (CID 65125164) is N-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine is CC(CCCNC(C)(C)C)OCc1cccc(Cl)c1.
What is the InChIKey of N-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine?
The InChIKey is KQPRXRSXVCHLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-13(7-6-10-18-16(2,3)4)19-12-14-8-5-9-15(17)11-14/h5,8-9,11,13,18H,6-7,10,12H2,1-4H3.
What are the key properties of N-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine?
N-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine is sourced from PubChem (CID 65125164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).