2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine

C17H26BrNO — CID 82831438

IUPAC2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1OCc1ccc(Br)cc1
InChIInChI=1S/C17H26BrNO/c1-2-12-19-16-6-4-3-5-7-17(16)20-13-14-8-10-15(18)11-9-14/h8-11,16-17,19H,2-7,12-13H2,1H3
InChIKeyGMXJKKNLPHQSGO-UHFFFAOYSA-N
MW340.30 g/mol
LogP4.67
Rot. Bonds6

About 2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine

2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine (PubChem CID 82831438) has the molecular formula C17H26BrNO and a molecular weight of 340.30 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine
PubChem CID82831438
Molecular FormulaC17H26BrNO
Molecular Weight340.30 g/mol
Exact Mass339.12
IUPAC Name2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1OCc1ccc(Br)cc1
InChIInChI=1S/C17H26BrNO/c1-2-12-19-16-6-4-3-5-7-17(16)20-13-14-8-10-15(18)11-9-14/h8-11,16-17,19H,2-7,12-13H2,1H3
InChIKeyGMXJKKNLPHQSGO-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methoxy]-N-propylcyclohexan-1-amine
CID 82832119
2-[(4-chlorophenyl)methoxy]-N-propylcyclopentan-1-amine
CID 65124598
2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine
CID 62111265
2-propoxy-N-propylcyclododecan-1-amine
CID 63500356
trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
CID 129030197
1-bromo-4-[(2-iodocyclohexyl)oxymethyl]benzene
CID 114774857
2-(2-propoxyethoxy)-N-propylcycloheptan-1-amine
CID 55233054
2-octoxy-N-propylcycloheptan-1-amine
CID 63473942
2-octoxy-N-propylcyclooctan-1-amine
CID 63476166
3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine
CID 82807037
(1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine
CID 126675394
2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine
CID 63501080

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine (CID 82831438) is 2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1OCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine?
The InChIKey is GMXJKKNLPHQSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-2-12-19-16-6-4-3-5-7-17(16)20-13-14-8-10-15(18)11-9-14/h8-11,16-17,19H,2-7,12-13H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine?
2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine has a molecular weight of 340.30 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine is sourced from PubChem (CID 82831438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).