N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine

C16H24ClNO2 — CID 63061471

IUPACN-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1cc(CNCC(C)C)cc(Cl)c1OCC1CC1
InChIInChI=1S/C16H24ClNO2/c1-11(2)8-18-9-13-6-14(17)16(15(7-13)19-3)20-10-12-4-5-12/h6-7,11-12,18H,4-5,8-10H2,1-3H3
InChIKeyDARFOPUYPYZQPQ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.88
Rot. Bonds8

About N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine

N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63061471) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
PubChem CID63061471
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1cc(CNCC(C)C)cc(Cl)c1OCC1CC1
InChIInChI=1S/C16H24ClNO2/c1-11(2)8-18-9-13-6-14(17)16(15(7-13)19-3)20-10-12-4-5-12/h6-7,11-12,18H,4-5,8-10H2,1-3H3
InChIKeyDARFOPUYPYZQPQ-UHFFFAOYSA-N
XLogP3.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63063707
N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062164
N-[(4-but-2-enoxy-3-chloro-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 76983294
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 4717010
2-[2-chloro-6-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]propanoic acid
CID 63062500
1-chloro-5-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65460365
5-(bromomethyl)-1-chloro-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65456921
5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63536015
1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol
CID 4717439
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine
CID 61344623
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291337

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine (CID 63061471) is N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine is COc1cc(CNCC(C)C)cc(Cl)c1OCC1CC1.
What is the InChIKey of N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is DARFOPUYPYZQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-11(2)8-18-9-13-6-14(17)16(15(7-13)19-3)20-10-12-4-5-12/h6-7,11-12,18H,4-5,8-10H2,1-3H3.
What are the key properties of N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine?
N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63061471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).