N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine;hydrochloride

C16H25BrClNO2 — CID 2950191

IUPACN-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine;hydrochloride
SMILESCOc1cc(CNC(C)C)c(Br)cc1OC1CCCC1.Cl
InChIInChI=1S/C16H24BrNO2.ClH/c1-11(2)18-10-12-8-15(19-3)16(9-14(12)17)20-13-6-4-5-7-13;/h8-9,11,13,18H,4-7,10H2,1-3H3;1H
InChIKeyZJJOPFJGWYSFTP-UHFFFAOYSA-N
MW378.74 g/mol
LogP4.70
Rot. Bonds6

About N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine;hydrochloride

N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine;hydrochloride (PubChem CID 2950191) has the molecular formula C16H25BrClNO2 and a molecular weight of 378.74 g/mol. Its IUPAC name is N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine;hydrochloride
PubChem CID2950191
Molecular FormulaC16H25BrClNO2
Molecular Weight378.74 g/mol
Exact Mass377.08
IUPAC NameN-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine;hydrochloride
SMILESCOc1cc(CNC(C)C)c(Br)cc1OC1CCCC1.Cl
InChIInChI=1S/C16H24BrNO2.ClH/c1-11(2)18-10-12-8-15(19-3)16(9-14(12)17)20-13-6-4-5-7-13;/h8-9,11,13,18H,4-7,10H2,1-3H3;1H
InChIKeyZJJOPFJGWYSFTP-UHFFFAOYSA-N
XLogP4.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.74
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxy-3-methoxybenzyl)cyclooctanamine hydrochloride
CID 2993164
N-(3-bromo-4-butoxy-5-methoxybenzyl)-N-[3-(4-morpholinyl)propyl]amine
CID 23723100
2-{5-Bromo-4-[(butylamino)methyl]-2-methoxyphenoxy}acetamide
CID 1817942
2-{5-Bromo-2-ethoxy-4-[(propylamino)methyl]phenoxy}acetamide
CID 2240591
N-[2-bromo-4-(cyclopentyloxy)-5-methoxybenzyl]cyclopentanamine hydrochloride
CID 2959620
N-[3-bromo-4-(cyclopentyloxy)-5-methoxybenzyl]-2-methyl-1-propanamine hydrochloride
CID 2962375
N-[3-bromo-4-(cyclopentyloxy)-5-methoxybenzyl]-2-phenylethanamine hydrochloride
CID 2962427
N-[3-bromo-4-(cyclopentyloxy)-5-methoxybenzyl]-1-butanamine hydrochloride
CID 2984782
[3-(3-Bromo-4-hexyloxy-5-methoxy-benzylamino)-propyl]-phosphonic acid
CID 9824415
N-benzyl-2-{5-bromo-4-[(isobutylamino)methyl]-2-methoxyphenoxy}acetamide
CID 979927
N-[4-(benzyloxy)-2-bromo-5-methoxybenzyl]cyclopentanamine hydrochloride
CID 2950311
2-{[4-(Benzyloxy)-3-bromo-5-methoxybenzyl]amino}-2-methyl-1-propanol hydrochloride
CID 2951198

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine;hydrochloride (CID 2950191) is N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine;hydrochloride is COc1cc(CNC(C)C)c(Br)cc1OC1CCCC1.Cl.
What is the InChIKey of N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine;hydrochloride?
The InChIKey is ZJJOPFJGWYSFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2.ClH/c1-11(2)18-10-12-8-15(19-3)16(9-14(12)17)20-13-6-4-5-7-13;/h8-9,11,13,18H,4-7,10H2,1-3H3;1H.
What are the key properties of N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine;hydrochloride?
N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine;hydrochloride has a molecular weight of 378.74 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 2950191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).