1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine

C14H18ClNO — CID 117382912

IUPAC1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2cc(Cl)cc(OCC3CC3)c2)CC1
InChIInChI=1S/C14H18ClNO/c15-12-5-11(8-14(16)3-4-14)6-13(7-12)17-9-10-1-2-10/h5-7,10H,1-4,8-9,16H2
InChIKeyXLRVVLWSJLQIAC-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.16
Rot. Bonds5

About 1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine

1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117382912) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine
PubChem CID117382912
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2cc(Cl)cc(OCC3CC3)c2)CC1
InChIInChI=1S/C14H18ClNO/c15-12-5-11(8-14(16)3-4-14)6-13(7-12)17-9-10-1-2-10/h5-7,10H,1-4,8-9,16H2
InChIKeyXLRVVLWSJLQIAC-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-5-(cyclopentylmethoxy)phenyl]methanol
CID 138485153
3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117389863
1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine
CID 117423442
1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine
CID 105490106
[3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol
CID 143728042
1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 117420672
4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine
CID 117474195
[1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine
CID 117492823
1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene
CID 138485152
(E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine
CID 117382831
1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone
CID 84689444
2-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxoacetic acid
CID 117389704

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine (CID 117382912) is 1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine is NC1(Cc2cc(Cl)cc(OCC3CC3)c2)CC1.
What is the InChIKey of 1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is XLRVVLWSJLQIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-12-5-11(8-14(16)3-4-14)6-13(7-12)17-9-10-1-2-10/h5-7,10H,1-4,8-9,16H2.
What are the key properties of 1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine?
1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 251.76 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117382912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).